4710-0022 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

4710-0022 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]-4-(methylsulfanyl)butanoic acid
4710-0022 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4710-0022
2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4710-0022

Molecular Formula

C22H22N2O6S (C22 H22 N2 O6 S)

Compound Name

2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

IUPAC name

2-[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

SMILES

CSCCC(C(O)=O)NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C22H22N2O6S/c1-31-10-9-16(22(27)28)23-21(26)17(24-20(25)15-5-3-2-4-6-15)11-14-7-8-18-19(12-14)30-13-29-18/h2-8,11-12,16H,9-10,13H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t16-/m0/s1

InChI Key

CSSWRNDDVNXJLD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03447917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.806

Distribution Coefficient, logD

-1.561

Water Solubility, LogSw

-2.52

Polar Surface Area

92.002

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

4710-0022 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4710-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4710-0022?
Check Price and Availability of 4710-0022, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4710-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4710-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4710-0022
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4710-0022 available by request